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alpha-D-GalpNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcpNAc

PropertiesImage
MNX_IDMNXM41131 Image of MNXM41131
referencechebi:147000
formulaC22H38N2O16
global charge0
mol weight586.544
InChIKeyLJYGCZXFBOCZHA-YYSXZPJPSA-N
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22+/m1/s1
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O
MNX internals
InChI (mnx)InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22+/m1/s1 Image of MNXM41131
SMILES (mnx)[CH3:1][C:6](=[N:23][C@@H:11]1[C@@H:16]([OH:33])[C@H:18]([O:39][C@H:22]2[C@H:17]([OH:34])[C@@H:19]([O:40][C@@H:21]3[C@H:12]([N:24]=[C:7]([CH3:2])[OH:29])[C@@H:15]([OH:32])[C@@H:13]([OH:30])[C@@H:8]([CH2:3][OH:25])[O:37]3)[C@@H:14]([OH:31])[C@@H:9]([CH2:4][OH:26])[O:38]2)[C@@H:10]([CH2:5][OH:27])[O:36][C@H:20]1[OH:35])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:147000
chebi:147000
LJYGCZXFBOCZHA-YYSXZPJPSA-N 		alpha-D-GalpNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcpNAc
2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
GalNAc(a1-3)Gal(b1-4)b-GlcNAc
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1

CHEBI:62515
chebi:62515
LJYGCZXFBOCZHA-JGIIURCWSA-N 		alpha-D-GalpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc
(Gal)1 (GalNAc)1 (GlcNAc)1
2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
N-acetyl-alpha-D-galactosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine
WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1
alpha-D-GalNAc-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc
alphaGalNAc(alpha1->3)Gal-(beta1->4)GlcNAc